Mechanism of chain collapse of strongly charged polyelectrolytes
Physical review letters, 2016•APS
We perform extensive molecular dynamics simulations of a charged polymer in a good
solvent in the regime where the chain is collapsed. We analyze the dependence of the
gyration radius R g on the reduced Bjerrum length ℓ B and find two different regimes. In the
first one, called a weak electrostatic regime, R g∼ ℓ B-1/2, which is consistent only with the
predictions of the counterion-fluctuation theory. In the second one, called a strong
electrostatic regime, we find R g∼ ℓ B-1/5. To explain the novel regime we modify the …
solvent in the regime where the chain is collapsed. We analyze the dependence of the
gyration radius R g on the reduced Bjerrum length ℓ B and find two different regimes. In the
first one, called a weak electrostatic regime, R g∼ ℓ B-1/2, which is consistent only with the
predictions of the counterion-fluctuation theory. In the second one, called a strong
electrostatic regime, we find R g∼ ℓ B-1/5. To explain the novel regime we modify the …
We perform extensive molecular dynamics simulations of a charged polymer in a good solvent in the regime where the chain is collapsed. We analyze the dependence of the gyration radius on the reduced Bjerrum length and find two different regimes. In the first one, called a weak electrostatic regime, , which is consistent only with the predictions of the counterion-fluctuation theory. In the second one, called a strong electrostatic regime, we find . To explain the novel regime we modify the counterion-fluctuation theory.
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